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<p>Many industrial organizations invest heavily in modeling and simulation (M&S) to support the design process. The primary business motivation for M&S is as a cheaper and faster alternative for obtaining information towards a better understanding of system behavior or to help with decision making. However, M&S predictions are known to be inexact because models and simulations are mathematical approximations of reality. To ensure that models are applicable for their intended use, organizations must collect evidence that the M&S is credible. Verification, validation, and uncertainty quantification (VVUQ) are the established methods for collecting this evidence. Structured frameworks for building credibility in M&S through VVUQ methods exist in the scientific literature but these frameworks and methods are generally not well developed, nor well implemented in industrial environments. The core motivation of this work is to help make existing VVUQ frameworks more suitable for industry.</p> <p>As part of this objective, this work proposes a new credibility assessment that turns VVUQ results into an intuitive, numerical decision-making metric. This credibility assessment, called the Credibility Index, identifies the important aspects of credibility, extracts the relevant VVUQ results, and converts the results into an overall Credibility Index score (CRED). This CRED score is unique for each specific prediction scenario and serves as an easy-to-digest measure of credibility. The Credibility Index builds upon widely accepted definitions of credibility, well-established VVUQ frameworks, and decision theory.</p> <p>The Credibility Index has been applied to several prediction scenarios for two publicly available benchmark problems and one Rolls-Royce funded subsystem case; all examples relate to the aerodynamic design of turbine-engine compressors. The results from these studies show how the Credibility Index serves as a decision-making metric, supplements traditional M&S outputs, and guides VVUQ efforts. A product feedback study, involving model end-users in industry, compared the Credibility Index to three other established credibility assessments; the study provides evidence that CRED consistently captures all key aspects of information quality when informing end-users on the credibility of model predictions. Due to the industry partnership, this research already has multiple avenues of practical impact, including implementation of the structured VVUQ and credibility framework in an industrial toolkit and workflow. </p>

[pt] A análise de fluxo de água sob condição transiente não saturada requer o conhecimento das propriedades hidráulicas do solo. Essas relações constitutivas, denominadas curva característica e função de condutividade hidráulica, são descritas através de modelos empíricos que geralmente possuem vários parâmetros que devem ser calibrados com relação a dados coletados. Muitos dos parâmetros nos modelos constitutivos não podem ser medidos diretamente em campo ou laboratório, mas somente podem ser inferidos de forma significativa a partir de dados coletados e da modelagem inversa. Para obter os parâmetros do solo com a análise inversa, um algoritmo de otimização de busca local ou global pode ser aplicado. As otimizações globais são mais capazes de encontrar parâmetros ótimos, no entanto, a solução direta, por meio da modelagem numérica é computacionalmente custosa. Portanto, soluções analíticas (modelo substituto) podem superar essa falha acelerando o processo de otimização. Nesta dissertação, apresentamos a Regressão Polinomial Evolucionária (EPR) como uma ferramenta para desenvolver modelos substitutos do fluxo não saturado. Um rico conjunto de dados de parâmetros hidráulicos do solo é usado para calibrar o nosso modelo, e dados do mundo real são utilizados para validar nossa metodologia. Nossos resultados demonstram que o modelo da EPR prevê com precisão os dados de carga de pressão. As simulações do modelo se mostram concordantes com as simulações do programa Hydrus. / [en] Water flow analyses under transient soil hydraulic conditions require knowledge of the soil hydraulic properties. These constitutive relationships, named soil-water characteristic curve (SWCC) and hydraulic conductivity function (HCF) are described through empirical models which generally have several parameters that must be calibrated against collected data. Many of the parameters in SWCC and HCF models cannot be directly measured in field or laboratory but can only be meaningfully inferred from collected data and inverse modeling. In order to obtain the soil parameters with the inverse process, a local or global optimization algorithm may be applied. Global optimizations are more capable of fiding optimum parameters, however the direct solution through numerical modeling are time consuming. Therefore, analytical solutions (surrogate models) may overcome this shortcomming by accelerating the optimization process. In this work we introduce Evolutionary Polynomial Regression (EPR) as a tool to develop surrogate models of the physically-based unsaturated flow. A rich dataset of soil hydraulic parameters is used to calibrate our surrogate model, and real-world data are then utilized to validate our methodology. Our results demonstrate that the EPR model predicts accurately the observed pressure head data. The model simulations are shown to be in good agreement with the Hydrus software package.

<p>This study, motivated by biomedical applications such as drug delivery and adsorption, is aimed at describing magneto- and dielectro-phoretic systems via dimensional analysis to quantitatively assess the relative contribution of hydrodynamics, electromagnetism, and particle dynamics. Magnetophoresis and dielectrophoresis, phenomena of magnetic and dielectric particle transports, respectively, have been used in various applications requiring selective collecting or separating magnetic particles, especially in microfluidic systems.</p> <p>A multiphysics computational model for a magnetophoretic system was developed to assess magnetophoretic characteristics. The magnetically induced mobility of the magnetic particles was simulated for a range of parameters relevant in biomedical applications, including the particle and fluid properties, fluid velocity, and geometries of the particle, flow channel, and magnet. With the help of dimensional analysis, dimensionless numbers were introduced to reduce the number of parameters characterizing the transport of the particles suspended in an electrically non-conducting fluid exposed to an external magnetic field. As a result, 14 relevant variables determining the particle capture were reduced to only 3 dimensionless numbers describing the magnetophoretic system. The results from multiphysics models supported this analysis, suggesting a scaling law. The functional relationship among the dimensionless numbers resulted in prediction curves to assess the particle capture. The performance of the magnetophoretic system predicted with the dimensional analysis was verified in comparison with the available experimental data. In addition, the dimensionless numbers introduced here were compared with established numbers in magnetohydrodynamics (MHD).</p> <p>These theoretical and parametrical analyses of the magnetophoretic system were applied to the novel magnetic filter proposed to capture the drug-loaded small magnetic particles (MPs) from the bloodstream during the Intra-Arterial Chemotherapy (IAC). The IAC is a preferred treatment for unresectable hepatocellular carcinoma (HCC), the primary liver cancer. In the IAC procedure, chemotherapeutic agents, e.g. doxorubicin (Dox), are administered via a catheter placed in an artery supplying the tumor. The effectiveness of the IAC, however, is limited due to the passage of excessive chemotherapy agents to the blood circulation after their effect on the tumor, causing systemic toxicity. To remove the excessive drugs, the endovascular filtration devices have been developed. The proposed magnetic filtration device could be deployed from a catheter placed in the hepatic vein or inferior vena cava (IVC) to remove the excessive Dox from the bloodstream. The Ferumoxytol approved by the FDA is one of the types of the ultrasmall superparamagnetic iron oxide (USPIO) particles. The excessive Dox-coated USPIO can be filtered by a magnetic catheter-based device generating an external magnetic field. The filter utilizing magnetic fields is a promising method for therapeutic applications since an influence of magnetic field reaches comparatively wide ranges and magnetic fields do not affect biological tissues. To optimize the design, efficacy, and performance of the proposed magnetic filtration device, numerical models were developed based on the proposed dimensionless numbers characterizing drug transport and binding. Drug adsorption can be optimized by modifying magnetic field distribution and device configuration. To enhance the filtering up to 70-80 % of the excessive drug, multi-stage filters were developed by optimizing magnet configuration and flow patterns. By decreasing the concentration of toxins in the cardiovascular system, the drug dosage can be increased while reducing side effects, thus improving the effectiveness of the IAC treatment.</p> <p>In addition, new dimensionless numbers for dielectrophoresis analogous to magnetophoresis were introduced for a range of applications. The proposed dimensionless numbers for dielectrophoresis were evaluated for several conditions and compared with the previously established numbers in electrohydrodynamics (EHD). </p> <p>This study provides a promising framework for analyzing and predicting performance of various magneto- and dielectro-phoretic systems for a range of applications, particularly in biomedicine such as –drug filtering, targeted drug delivery, or small particle separation–, thus providing a reliable methodology for predicting particle manipulation. </p>

<p>In this work, two overarching global crises are addressed with an engineering lens; the COVID-19 pandemic and climate change. Regarding the latter, an investigation is completed into the fluxes of CO2 in the wake of a simple wind farm for identification of potentially beneficial siting of Direct Capture of CO2. In this analysis, large-eddy simulations are used to quantify scalar entrainment in the turbines’ wake for several empirical CO2 profiles. In instances with positive or a combination of CO2 gradients, it was found that the concentration of CO2 increased in wake through downward mixing and entrainment. In a negative CO2 gradient, the opposite was found, with the wind turbine mixing away the increased surface<br> concentration and entraining down lower concentration air from above. These findings were used to make recommendations on scenarios in which wind turbines were beneficial to Direct Capture plants.<br> In addition, as part of the ongoing response to the COVID-19 pandemic, an innovative new technology was designed and constructed; a prototype photoacoustic spectrometer for the rapid detection of viruses. With the vision to become a viral "breathalyzer", the primary stage of development involved the creation of a prototype for proof-of-concept of viral detection using PAS. An extensive literature review was completed to determine optimal<br> design, with several distinct innovations integrated with the end-product in mind; such as a pure silicon resonator cell and a light-emitting diode source for low-cost, portable detection.<br> This was estimated to be of sufficient quality to detect single virions, as found through Finite Element Analysis.<br> Additionally, the validation of a proposed improvement on the medical mask, named Hy-Cu, is shown. Through various tests, Hy-Cu was found to have greater breathability than KN95 or surgical masks, as well as comparable efficiency in filtration of viral droplets.<br> Additionally, the novel inclusion of a diamond-like carbon-coated copper mesh layer resulted in viral inactivation of 99% after a period of 2 hours, allowing Hy-Cu to be safely reused without risk of transmission.<br> </p> <p> </p>

<p dir="ltr">Generation IV high-temperature gas-cooled reactors (HTGR) are designed to exhibit passive safety under all off-normal circumstances. One such scenario, known as depressurized loss of forced circulation (DLOFC), occurs after a break in the coaxial inlet/outlet header. As the headers are traditionally located at the base of the reactor vessel, the low-density helium coolant is preserved in the core following the initial rupture accident. Upon depressurization, however, air from the surrounding reactor environment slowly enters the coolant channel through molecular diffusion. As the incoming fluid continues to deplete the helium concentration, the onset of natural circulation (ONC) can occur causing bulk air ingress leading to the oxidation and degradation of core components. Therefore, investigating methods to improve the time to ONC is critical in impeding reactor core component damage brought about by DLOFC in an HTGR.</p><p dir="ltr">The Transformational Challenge Reactor (TCR) has similar features to those of an HTGR, but the primary difference is the use of a more complex, additively manufactured (AM) fuel geometry. The more compact, AM, ceramic fuel elements can be conveniently produced with optimally configured channels that suppress the air ingress progress and improve thermofluidic performance. DLOFC and air ingress are experimentally studied in a scaled HTGR flow test setup. Distributed temperature measurements and time to ONC data are collected for the experiments conducted. Multiple geometries are analyzed throughout the investigation. The thermal transient and time to ONC data gathered for the different test geometries and temperatures are compared. The results show that the AM and pebble bed elements deter ONC significantly longer than the baseline geometry representative of a prismatic fuel coolant channel. The AM part delayed ONC as compared to the pebble bed test piece at higher temperatures. The distributed temperature sensor shows intra-leg circulation at higher temperature tests.</p><p dir="ltr">Thermophysical properties of the 316 stainless steel AM component are compared to those of a standard 316 stainless steel round bar. The properties ascertained include the density, emissivity, specific heat, and thermal conductivity. The density of the AM part is 1.5% greater than the density of the standard bar. The emissivity of the AM part is determined to be over three times greater than the emissivity of the polished standard stainless steel round. The specific heat of the AM element is 16% greater than that of the standard 316 stainless steel specific heat. The thermal conductivity of the AM component is measured to be within 1.5% of the standard 316 stainless steel round bar thermal conductivity.</p>

<p dir="ltr">Gas turbines are widely used to provide propulsion, electrical-power, and mechanical power. Though tremendous advances have been made since Frank Whittle’s patent of a turbojet in 1930 and Hans von Ohain’s patent of the first operational turbojet in 1936, industry still has aggressive goals on improvements in efficiency and service life. One area where further advances are needed is better control of the flow across the gap between the blade tip and the shroud, referred to as tip-leakage flow (TLF). This is because TLF accounts for up to one-third of the aerodynamic losses in a turbine stage.</p><p dir="ltr">In this study, hybrid LES-RANS based on IDDES and steady RANS based on the SST turbulence model were used to study the compressible flow in a 1.5-stage turbine with geometry and operating conditions that are relevant to power-generation gas turbines. The focus is on the flow in the tip-gap region that account for the flow features created by the upstream stator vanes, stator-rotor interactions, and downstream stator vanes. Results obtained reveal the flow structures about the tip-gap region and the flow mechanisms that create them. Results obtained also show where steady RANS with mixing plane could predict correctly when compared with results from IDDES that resolve the unsteadiness of the turbulence and the motion of the rotor blades passing the stator vanes. Turbulent statistics from the IDDES were generated to guide the development of better RANS models. Results were also obtained by using RANS to examine the effects of blade loading, where mass flow rate through the 1.5 stage turbine was varied with the rotor’s rotational speed fixed at 3,600 RPM – the speed at which power-generation gas turbines operate in the U.S.</p><p dir="ltr">Key findings are as follows: In the first-stage stator, horseshoe, passage, and corner vortices were found to be confined within 10 to 15% span from the hub and shroud, and both steady RANS and IDDES generated similar results. Steady RANS and IDDES, however, differed considerably in how they predicted the wake downstream of the vane’s trailing edge. This coupled with the use of mixing plane, steady RANS was unable to account for effects of stator-rotor interactions and their effects on the tip-leakage flow. In the rotor, steady RANS predicted passage vortices that extended up to 50% span from the hub and 25% span from the shroud. The flow through the tip gap was found to induce a separation bubble on the blade tip and one large and two small vortical structures on the suction side of the blade and a vortical structure next to the shroud. These structures were found to grow along the axial chord of the blade. Steady RANS also predicted the large tip leakage vortex that contained the fluid from the tip-leakage flow to breakdown. IDDES did not predict the vortex breakdown because all of the coherent vortical structures identified including the separated region on the blade tip were unsteady and constantly shedding. As a result, IDDES predicted much smaller mean passage vortices – albeit the instantaneous structures were nearly as large as those predicted by steady RANS.</p>

Splitter plates are passive flow control devices for reducing drag and suppressing vortex shedding from bluff bodies. Most studies of splitter plates involve the flow around an “infinite” circular cylinder, however, in the present study the flow around a surface-mounted finite-height circular cylinder, with a wake-mounted splitter plate, was studied experimentally in a low-speed wind tunnel using a force balance and single-component hot-wire anemometry. Four circular cylinders of aspect ratios AR = 9, 7, 5 and 3 were tested for a Reynolds number range of Re = 1.9×10^4 to 8.2×10^4. The splitter plates had lengths, relative to the cylinder diameter, of L/D = 1, 1.5, 2, 3, 5 and 7, thicknesses ranging from T/D = 0.10 and 0.15, and were the same height as the cylinder being tested. The cylinders were partially immersed in a flat-plate turbulent boundary layer, where the range of boundary layer thickness relative to the cylinder diameter was δ/D = 1.4 to 1.5. Measurements were made of the mean drag force coefficient, the Strouhal number at the mid-height position, and the Strouhal number and power spectra along the cylinder height. For all four finite circular cylinders, the splitter plates were effective at reducing the magnitude of the Strouhal number, and weakening or even suppressing vortex shedding, depending on the specific combination of AR and L/D. Compared to the case of an infinite circular cylinder, the splitter plate is less effective at reducing the mean drag force coefficient of a finite circular cylinder. The largest drag reduction was obtained for the cylinder of AR = 9 and splitter plates of L/D = 1 to 3, while negligible drag reduction occurred for the shorter cylinders.

<p dir="ltr">Positive displacement machines are used in various industries spanning the power spectrum, from industrial robotics to heavy construction equipment to aviation. These machines should be highly efficient, compact, and reliable. It is very advantageous for designers to use virtual simulations to design and improve the performance of these units as they significantly reduce cost and downtime. The recent trends of electrification and the goal to increase power density force these units to work at higher pressures and higher rotational speeds while maintaining their efficiencies and reliability. This push means that the simulation models need to advance to account for various aspects during the operation of these machines. </p><p dir="ltr">These machines typically have several bodies in relative motion with each other. Quantifying these motions and solving for their effect on the fluid enclosed are vital as they influence the machine's performance. The push towards higher rotational speeds introduces unwanted cavitation and aeration in these units. To model these effects, keeping the design evaluation time low is key for a designer. The lumped parameter approach offers the benefit of computational speed, but a major drawback that comes along with it is that it typically assumes fluid inertia to be negligible. These effects cannot be ignored, as quantifying and making design considerations to negate these effects can be beneficial. Therefore, this thesis addresses these key challenges of cavitation dynamics, body dynamics, and accounting for fluid inertia effects using a lumped parameter formulation.</p><p dir="ltr">To account for dynamics features related to cavitation, this thesis proposes a novel approach combining the two types of cavitation, i.e., gaseous and vaporous, by considering that both vapor and undissolved gas co-occupy a spherical bubble. The size of the spherical bubble is solved using the Rayleigh-Plesset equation, and the transfer of gas through the bubble interface is solved using Henry's Law and diffusion of the dissolved gas in the liquid. These equations are coupled with a novel pressure derivative equation. To account for body dynamics, this thesis introduces a novel approach for solving the positions of the bodies of a hydraulic machine while introducing new methods to solve contact dynamics and the application of Elasto Hydrodynamic Lubrication (EHL) friction at those contact locations. This thesis also proposes strategies to account for fluid inertia effects in a lumped parameter-based approach, taking as a reference an External Gear Machine. This thesis proposes a method to study the effects of fluid inertia on the pressurization and depressurization of the tooth space volumes of these units. The approach is based on considering the fluid inertia in the pressurization grooves and inside the control volumes with a peculiar sub-division. Further, frequency-dependent friction is also modeled to provide realistic damping of the fluid inside these channels.</p><p dir="ltr">To show the validity of the proposed dynamic cavitation model, the instantaneous pressure of a closed fluid volume undergoing expansion/compression is compared with multiple experimental sources, showing an improvement in accuracy compared to existing models. This modeling is then further applied to a gerotor machine and validated with experiments. Integrating this modeling technique with current displacement chamber simulation can further improve the understanding of cavitation in hydraulic systems. Formulations for body dynamics are tested on a prototype Gerotor and Vane unit. For both gerotor and vane units, comparisons of simulation results to experimental results for various dynamic quantities, such as pressure ripple, volumetric, and hydromechanical efficiency for multiple operating conditions, have been done. Extensive validation is performed for the case of gerotors where shaft torque ripple and the motion of the outer gear is experimentally validated. The thesis also comments on the distribution of the different torque loss contributions. The model for fluid inertia effects has been validated by comparing the lumped parameter model with a full three-dimensional Navier Stokes solver. The quantities compared, such as tooth space volume pressures and outlet volumetric flow rate, show a good match between the two approaches for varying operating speeds. A comparison with the experiments supports the modeling approach as well. The thesis also discusses which operating conditions and geometries play a significant role that governs the necessity to model such fluid inertia effects in the first place.</p>

Les gisements à Sn-W de type veine et greisen sont des systèmes magmatiques-hydrothermaux dont l’exploitation fournit une part importante de la production mondiale de tungstène et qui représentent également une source importante d’étain. La formation de ces gisements résulte d’un continuum de processus magmatiques et hydrothermaux et implique un transport efficace et la focalisation des fluides minéralisateurs. Cette étude vise àaméliorer la compréhension des processus hydrodynamiques et géologiques impliqués lors du transport et du dépôt de métaux conduisant à la formation de ces gisements. Nous avons réalisé une étude pluridisciplinaire combinant (i) travail de terrain (étude géologique et structurale), (ii) reconstruction des paléo-circulations hydrothermales via l’analyse texturale des bandes de croissance des tourmalines, (iii) détermination expérimentale des changements de perméabilité induits par la greisenisation et (iv) modélisation numérique des écoulements péri-granitiques prenant en compte l’évolution de la perméabilité dynamique lors des interactions fluide-roche. Cette méthodologie a été appliquée au cas du gisement W-Sn-(Cu) de Panasqueira, qui constitue un site de référence pour étudier les processus magmatiques e thydrothermaux conduisant à la formation de gisements à Sn-W de classe mondiale. Les résultats obtenus démontrent que l’expulsion des fluides magmatiques minéralisés a déclenché la greisenisation des parties apicales (coupoles etapex) de l’intrusion granitique, entraînant la création de porosité (~ 8,5%) qui améliore significativement la perméabilité(de 10-20 à 10-17 m²) au sein du greisen massif composant le toit de l’intrusion. Le développement de ce niveau perméable constitue un drain important favorisant l'expulsion et la focalisation des fluides magmatiques minéralisateurs exsolvés lors de la cristallisation du granite sous-jacent. Cette focalisation des décharges hydrothermales (i) améliore significativement le transport des métaux, et (ii) favorise l'établissement de conditions de pression de fluide élevées qui couplées aux contraintes régionales compressives causent l'ouverture des veines minéralisées au toit de l’intrusion.Cette étude souligne l’importance des rétrocontrôles entre perméabilité dynamique et altération hydrothermale. Ces derniers constituent des mécanismes majeurs permettant d’améliorer significativement la circulation des fluides minéralisateurs et donc la formation de gisements hydrothermaux de grandes tailles / The vein and greisen Sn-W deposits are magmatic-hydrothermal systems that provide an important part of theworld W production and represent an important source of Sn. The formation of these deposits involves continuum ofmagmatic-hydrothermal processes and implies the transfer and the focusing of a large amount of mineralizing fluids. Thisstudy aims to improve understanding of hydrodynamic and geological processes involved during the transport and thedeposition of metals leading to the formation of these deposits. We have performed a complete study combining (i) fieldworks (geological and structural studies), (ii) fluid flow reconstruction via the textural analysis of tourmaline growth bands,(iii) experimental determination of permeability changes during greisenization, and (iv) numerical modeling of peri-graniticfluid flow accounting for magmatic fluid production and dynamic permeability related to fluid-rock interactions. Thismethodology was applied in the case of the world-class W-Sn-(Cu) Panasqueira deposit, which represents a referencesite to study magmatic-hydrothermal processes leading to the formation of large vein and greisen deposit. Our resultsdemonstrate that the releasing and the expulsion of ore-bearing magmatic fluids triggered greisenization of the apicalpart of granite intrusion, which caused generation of porosity (~8.5%) and therefore a significant increase of permeability(from 10-20 to 10-17 m²) in massive greisen composing the granite’s roof. The development of this permeable pathwayconstitutes an important drain promoting the expulsion and the focusing of magmatic fluids produced during thecrystallization of the underlying granite. This enhancement of magmatic fluids expulsion (i) promotes significantly fluidflux and transfer of metals, and (ii) the establishment of high fluid pressure conditions, which coupled with the regionalcompressive crustal regime, triggered the opening of mineralized veins above the granite roof. Finally, this studyemphasizes that reactive hydrothermal fluids are able to generate their own pathways in initially impermeable rocks. Thisprocess represents an important mechanism to enhance fluid flow and promote the formation of large hydrothermaldeposits.